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2-Heptynoic acid, methyl ester
SpectraBase Compound ID JTFCWhkIkxB
InChI InChI=1S/C8H12O2/c1-3-4-5-6-7-8(9)10-2/h3-5H2,1-2H3
InChIKey IATZLNCRIIUXJM-UHFFFAOYSA-N
Mol Weight 140.18 g/mol
Molecular Formula C8H12O2
Exact Mass 140.08373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7K6kc5nGPPH
Name 2-Heptynoic acid, methyl ester
CAS Registry Number 18937-78-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H12O2
InChI InChI=1S/C8H12O2/c1-3-4-5-6-7-8(9)10-2/h3-5H2,1-2H3
InChIKey IATZLNCRIIUXJM-UHFFFAOYSA-N
Molecular Weight 140.182 g/mol
SMILES C(C#CCCCC)(=O)OC
SPLASH splash10-0a4i-0900000000-e9dc4e7fc4d4c400d7b4
Source of Spectrum F-51-11635-21
Synonyms Methyl hept-2-ynoate 2-Heptynoic acid methyl ester Hept-2-ynoic acid methyl ester Methyl 2-heptynoate
Wiley ID 793973